4WDG
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03149 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.330, 46.940, 106.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.445 - 2.050 |
R-factor | 0.2413 |
Rwork | 0.235 |
R-free | 0.29210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xmi |
RMSD bond length | 0.003 |
RMSD bond angle | 0.701 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.000 | 2.100 | |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.137 | 0.043 | 1.651 |
Rmeas | 0.149 | 0.047 | 1.789 |
Total number of observations | 90138 | ||
Number of reflections | 13665 | 193 | 991 |
<I/σ(I)> | 8.71 | 24.7 | 1.08 |
Completeness [%] | 99.8 | 97 | 99.9 |
Redundancy | 6.6 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Na-acetate, PEG 4000 / 6000 |